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Chlorine in PDB 6isn: Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor

Enzymatic activity of Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor

All present enzymatic activity of Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor:
5.4.2.11; 5.4.2.4;

Protein crystallography data

The structure of Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor, PDB code: 6isn was solved by L.L.Jiang, L.Zhou, K.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.89 / 1.98
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.541, 82.764, 104.204, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 22.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor (pdb code 6isn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor, PDB code: 6isn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6isn

Go back to Chlorine Binding Sites List in 6isn
Chlorine binding site 1 out of 2 in the Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:29.2
occ:1.00
NH2 B:ARG83 3.2 26.4 1.0
NH2 C:ARG83 3.3 26.9 1.0
NH1 B:ARG83 3.3 26.7 1.0
NH1 C:ARG83 3.3 28.5 1.0
NE1 C:TRP68 3.3 26.5 1.0
NE1 B:TRP68 3.4 28.6 1.0
CZ B:ARG83 3.7 28.6 1.0
CZ C:ARG83 3.7 31.4 1.0
CG2 C:VAL81 4.0 26.6 1.0
CG2 B:VAL81 4.0 28.2 1.0
CB B:VAL81 4.1 30.0 1.0
CB C:VAL81 4.1 29.0 1.0
CG1 B:VAL81 4.2 28.7 1.0
CD1 C:TRP68 4.2 28.1 1.0
CE2 C:TRP68 4.2 28.5 1.0
CE2 B:TRP68 4.2 27.2 1.0
CD1 B:TRP68 4.3 25.8 1.0
CG1 C:VAL81 4.3 29.8 1.0
CZ2 B:TRP68 4.5 26.7 1.0
CZ2 C:TRP68 4.5 27.1 1.0

Chlorine binding site 2 out of 2 in 6isn

Go back to Chlorine Binding Sites List in 6isn
Chlorine binding site 2 out of 2 in the Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:63.6
occ:1.00
CL C:AW6302 0.0 63.6 1.0
C18 C:AW6302 1.7 57.4 1.0
C19 C:AW6302 2.7 62.2 1.0
C17 C:AW6302 2.7 57.8 1.0
H11 C:AW6302 2.8 74.7 1.0
H10 C:AW6302 2.9 69.3 1.0
O C:ARG21 3.1 39.7 1.0
C C:ARG21 3.2 41.0 1.0
C C:ASN20 3.5 50.1 1.0
N C:PHE22 3.5 34.4 1.0
O C:ASN20 3.6 45.9 1.0
N C:ARG21 3.6 40.4 1.0
CA C:PHE22 3.8 37.8 1.0
CA C:ARG21 3.9 38.9 1.0
C C:AW6302 4.0 64.2 1.0
CA C:ASN20 4.0 53.0 1.0
C16 C:AW6302 4.0 59.3 1.0
O3S C:MES301 4.1 45.5 1.0
C3 C:MES301 4.1 50.7 1.0
CG C:PHE22 4.3 39.9 1.0
C2 C:MES301 4.3 58.5 1.0
CD2 C:PHE22 4.3 42.6 1.0
N4 C:MES301 4.5 49.2 1.0
C15 C:AW6302 4.5 65.1 1.0
CD1 C:PHE22 4.6 40.4 1.0
CE2 C:PHE22 4.6 48.9 1.0
OD1 C:ASN20 4.6 63.7 1.0
CB C:PHE22 4.7 39.9 1.0
H C:AW6302 4.7 77.0 1.0
CB C:ASN20 4.8 56.8 1.0
C7 C:MES301 4.8 50.3 1.0
H09 C:AW6302 4.8 71.1 1.0
CE1 C:PHE22 4.9 43.4 1.0
CZ C:PHE22 4.9 45.1 1.0

Reference:

L.L.Jiang, L.Zhou, K.Huang. Phosphoglycerate Mutase 1 Complexed with A Small Molecule Inhibitor To Be Published.
Page generated: Sat Jul 12 15:48:57 2025

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